Crystallized silicon nanostructures — experimental characterization and atomistic simulations

Author:

Agbo Solomon1,Sutta Pavol1,Calta Pavel1,Biswas Rana2,Pan Bicai3

Affiliation:

1. New Technology Research Centre, University of West Bohemia, Univerzitni 8, 306 14, Pilsen, Czech Republic.

2. Department of Physics and Astronomy, Ames Laboratory, Microelectronics Research Center and Department of Electrical and Computer Engineering, Iowa State University, Ames, IA 50011, USA.

3. Department of Physics, University of Science and Technology of China, Hefei, China.

Abstract

We have synthesized silicon nanocrystalline structures from thermal annealing of thin film amorphous silicon-based multilayers. The annealing procedure that was carried out in vacuum at temperatures up to 1100 °C is integrated in a X-ray diffraction (XRD) setup for real-time monitoring of the formation phases of the nanostructures. The microstructure of the crystallized films is investigated through experimental measurements combined with atomistic simulations of realistic nanocrystalline silicon (nc-Si) models. The multilayers consisting of uniformly alternating thicknesses of hydrogenated amorphous silicon and silicon oxide (SiO2) were deposited by plasma enhanced chemical vapor deposition on crystalline silicon and Corning glass substrates. The crystallized structure consisting of nc-Si structures embedded in an amorphous matrix were further characterized through XRD, Raman spectroscopy, and Fourier transform infrared measurements. We are able to show the different stages of nanostructure formation and how the sizes and the crystallized mass fraction can be controlled in our experimental synthesis. The crystallized silicon structures with large crystalline filling fractions exceeding 50% have been simulated with a robust classical molecular dynamics technique. The crystalline filling fractions and structural order of nc-Si obtained from this simulation are compared with our Raman and XRD measurements.

Publisher

Canadian Science Publishing

Subject

General Physics and Astronomy

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